methyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4/c1-28-22-21(23(31)29(2)25(28)33)30(14-26-22)13-18-20(24(32)34-3)19(15-9-5-4-6-10-15)16-11-7-8-12-17(16)27-18/h4-12,14H,13H2,1-3H3